SCHEMBL854501

SCHEMBL854501

CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
HTT P42858 3/20 0.66
GAA P10253 2/20 0.66
CA2 P00918 2/20 0.62
CA5A P35218 1/20 0.62
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
CA1 P00915 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
VCAM1 P19320 1/20 0.55
PDE2A O00408 1/20 0.55
PDE5A O76074 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30213213 1.00 KMT2A (0.66) KMT2AHTTGAACA2CA5A
SCHEMBL6813422 0.87 CA2 (0.63) KMT2AHTTGAACA2CA5A
Hydrochloric Acid SCHEMBL3647553 0.85 CA2 (0.61) KMT2AHTTGAACA2CA5A
SCHEMBL4067617 0.85 KMT2A (0.60) KMT2AHTTGAACA2CA5A
SCHEMBL8247534 0.84 VCAM1 (0.59) KMT2AHTTGAACA2CA5A
SCHEMBL4589706 0.83 SMN1; SMN2 (0.63) KMT2AHTTGAACA2CA5A
SCHEMBL6534914 0.83 KMT2A (0.57) KMT2AHTTGAACA2CA5A
SCHEMBL14574198 0.82 MAPT (0.57) KMT2AHTTGAACA2CA5A
SCHEMBL8099347 0.80 KMT2A (0.72) KMT2AHTTGAACA2CA5A
SCHEMBL5899427 0.80 KMT2A (0.72) KMT2AHTTGAACA2CA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 CN claimed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 EP claimed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 WO claimed
CN-101328150-A New benzimidazole derivatives ASTRAZENECA AB (SE) 2008-12-24 CN claimed
CN-100413849-C Benzimidazole derivatives ASTRAZENECA AB (SE) 2008-08-27 CN claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 CN disclosed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 EP disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 KMT2A 821/4885HTT 4781/4885GAA 2372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.